SMIRKS
[H]N([H])[C:13]([H])([C:12]1:[C:5]([C:6]([O:7][P:8](=[O:9])([O:10][H:28])[O:11][H:29])([H:30])[H:31]):[C:4]([H:27]):[N:3]:[C:2]([C:1]([H:37])([H:38])[H:39]):[C:15]:1[O:16][H:36])[H:34].[H]OC(=O)C(C([H])([H])C([H])([H])C(=O)O[H])=[O:23]>>[C:1]([C:2]1:[N:3]:[C:4]([H:27]):[C:5]([C:6]([O:7][P:8](=[O:9])([O:10][H:28])[O:11][H:29])([H:30])[H:31]):[C:12]([C:13](=[O:23])[H:34]):[C:15]:1[O:16][H:36])([H:37])([H:38])[H:39]
Derived Operators
EVODEX.1-F279 - Elemental Balance
| O | -4 |
| C | -5 |
| N | -1 |
| H | -9 |
EVODEX.1-M36 - Mass Difference
-147.05317
EVODEX.1-E1033 - Reaction Operator E
[#6:20](-[#6@@:19])(-[#7](-[H])-[H])(-[H:63])-[H].[#8]=[#6](-[#8]-[H])-[#6](-[#6](-[#6](=[#8:49])-[#6](=[#8])-[#8]-[H])(-[H])-[H])(-[H])-[H]>>[#6:20](-[#6@@:19])(=[#8:49])-[H:63]
EVODEX.1-C84 - Reaction Operator C
[H]-[#7](-[H])-[#6:13]-[H].[H]-[#8]-[#6](=[#8])-[#6](-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#8]-[H])=[#8:23]>>[#6:13]=[#8:23]
EVODEX.1-N523 - Reaction Operator N
[H]-[#7](-[H])-[#6:13](-[H])(-[#6:12])-[H:34].[H]-[#8]-[#6](=[#8])-[#6](-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#8]-[H])=[#8:23]>>[#6:12]-[#6:13](=[#8:23])-[H:34]
EVODEX.1-Em111 - Reaction Operator Em
[H]-[#7](-[H])-[#6:13](-[H])-[#6:12].[#6](=[#8])-[#6](-[#6])=[#8:23]>>[#6:12]-[#6:13]=[#8:23]
EVODEX.1-Nm142 - Reaction Operator Nm
[H]-[#7](-[H])-[#6:13](-[H])-[#6:12].[#6]-[#6](-[#6])=[#8:23]>>[#6:12]-[#6:13]=[#8:23]
Source Full Reactions
EVODEX.1-R3778
[H][C:13]([C:12]1:[C:5]([C:6]([O:7][P:8](=[O:9])([O:10][H:28])[O:11][H:29])([H:30])[H:31]):[C:4]([H:27]):[N:3]:[C:2]([C:1]([H:37])([H:38])[H:39]):[C:15]:1[O:16][H:36])([N:14]([H:32])[H:33])[H:34].[O:17]=[C:18]([O:19][H:40])[C:20]([C:21]([C:22](=[O:23])[C:24](=[O:25])[O:26][H:41])([H:42])[H:43])([H:44])[H:45]>>[C:1]([C:2]1:[N:3]:[C:4]([H:27]):[C:5]([C:6]([O:7][P:8](=[O:9])([O:10][H:28])[O:11][H:29])([H:30])[H:31]):[C:12]([C:13](=[O:23])[H:34]):[C:15]:1[O:16][H:36])([H:37])([H:38])[H:39].[H][C@@:22]([N:14]([H:32])[H:33])([C:21]([C:20]([C:18](=[O:17])[O:19][H:40])([H:44])[H:45])([H:42])[H:43])[C:24](=[O:25])[O:26][H:41]